Details of the Drug Combination

General Information of Drug Combination (ID: DCASG5S)

Drug Combination Name
Estramustine SNX-2112
Indication
Disease Entry Status REF
Invasive ductal carcinoma Investigative [1]
Component Drugs Estramustine   DMWTAOI SNX-2112   DMB5A80
Small molecular drug Small molecular drug
2D MOL 2D MOL
3D MOL 3D MOL
High-throughput Screening Result Testing Cell Line: T-47D
Zero Interaction Potency (ZIP) Score: 2.49
Bliss Independence Score: 1.13
Loewe Additivity Score: 2.56
LHighest Single Agent (HSA) Score: 2.77

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of Estramustine
Disease Entry ICD 11 Status REF
Prostate cancer 2C82.0 Approved [2]
Estramustine Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Estramustine binding protein (EMBP) TTSBFYK NOUNIPROTAC Binder [4]
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Estramustine Interacts with 1 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Metabolism [5]
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Estramustine Interacts with 1 DOT Molecule(s)
DOT Name DOT ID UniProt ID Mode of Action REF
Keratin, type I cytoskeletal 18 (KRT18) OTVLQFIP K1C18_HUMAN Increases Expression [6]
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Indication(s) of SNX-2112
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [3]
SNX-2112 Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Heat shock protein 90 alpha (HSP90A) TT78R5H HS90A_HUMAN Inhibitor [3]
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SNX-2112 Interacts with 6 DOT Molecule(s)
DOT Name DOT ID UniProt ID Mode of Action REF
Inhibitor of nuclear factor kappa-B kinase subunit alpha (CHUK) OTLF4ZB1 IKKA_HUMAN Decreases Expression [7]
Poly polymerase 1 (PARP1) OT310QSG PARP1_HUMAN Increases Cleavage [7]
Cytochrome c (CYCS) OTBFALJD CYC_HUMAN Affects Localization [7]
Transcription factor p65 (RELA) OTUJP9CN TF65_HUMAN Decreases Expression [7]
Bcl-2-like protein 1 (BCL2L1) OTRC5K9O B2CL1_HUMAN Decreases Expression [7]
Heat shock protein 75 kDa, mitochondrial (TRAP1) OTNG0L8J TRAP1_HUMAN Decreases Expression [7]
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⏷ Show the Full List of 6 DOT(s)

Test Results of This Drug Combination in Other Disease Systems

Indication DrugCom ID Cell Line Status REF
Ewing sarcoma-peripheral primitive neuroectodermal tumour DCFQHPV ES2 Investigative [8]
Breast and ovarian cancer syndrome DC2FA0Q UWB1289 Investigative [1]
Breast carcinoma DCHGXC1 OCUBM Investigative [1]
Carcinoma DC8ODZZ EFM192B Investigative [1]
Colon adenocarcinoma DCUBY2F LOVO Investigative [1]
Adenocarcinoma DCY7NYM CAOV3 Investigative [9]
Adenocarcinoma DCWAD34 OVCAR3 Investigative [9]
Adenocarcinoma DCD6V9Z NCIH2122 Investigative [9]
Adenocarcinoma DCT8LM1 COLO320DM Investigative [9]
Adenocarcinoma DCSG1M5 DLD1 Investigative [9]
Amelanotic melanoma DCP3NN8 A2058 Investigative [9]
Malignant melanoma DCYVWGR A375 Investigative [9]
Malignant melanoma DCWXPPS RPMI7951 Investigative [9]
Malignant melanoma DC78TZX SKMEL30 Investigative [9]
Mesothelioma DC04W3O MSTO Investigative [9]
Non small cell carcinoma DCUSUS6 SKMES1 Investigative [9]
Ovarian endometrioid adenocarcinoma DCLH11P A2780 Investigative [9]
Ovarian serous cystadenocarcinoma DCBLV7H SK-OV-3 Investigative [9]
Prostate carcinoma DCAGN5S VCAP Investigative [9]
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⏷ Show the Full List of 19 DrugCom(s)

References

1 CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1126165
2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
3 Heat shock protein 90: inhibitors in clinical trials. J Med Chem. 2010 Jan 14;53(1):3-17.
4 Estramustine binding protein in primary tumours and metastases of malignant melanoma. Melanoma Res. 1994 Dec;4(6):401-5.
5 Activity of docetaxel with or without estramustine phosphate versus mitoxantrone in androgen dependent and independent human prostate cancer xenografts. J Urol. 2003 May;169(5):1729-34.
6 Docetaxel induces apoptosis in hormone refractory prostate carcinomas during multiple treatment cycles. Br J Cancer. 2006 Jun 5;94(11):1592-8. doi: 10.1038/sj.bjc.6603129.
7 The Hsp90 inhibitor SNX-2112, induces apoptosis in multidrug resistant K562/ADR cells through suppression of Akt/NF-B and disruption of mitochondria-dependent pathways. Chem Biol Interact. 2013 Sep 5;205(1):1-10. doi: 10.1016/j.cbi.2013.06.007. Epub 2013 Jun 15.
8 CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1125966
9 CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1125976